SCHEMBL13081392

SCHEMBL13081392

CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)OP(=O)(c3ccccc3)[C@@H](OS(C)(=O)=O)[C@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.39
▸ CA1 P00915 8/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CA4 P22748 4/20 0.34
▸ CA5A P35218 4/20 0.34
▸ CA7 P43166 4/20 0.34
▸ CA14 Q9ULX7 4/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ ELANE P08246 4/20 0.33
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12713125 0.87 CA1 (0.35) CA2CA1CA9
SCHEMBL13053732 0.83 TMEM97 (0.32) CA2CA1CA9ELANEL3MBTL1
SCHEMBL13053855 0.83 CA1 (0.34) CA2CA1CA9ELANE
SCHEMBL26668874 0.82 ALDH1A1 (0.39) CA2CA1CA9ELANEHCRTR1
SCHEMBL15989468 0.82 ALDH1A1 (0.39) CA2CA1CA9ELANEHCRTR1
SCHEMBL13053810 0.82 CA1 (0.33) CA2CA1CA9ELANEL3MBTL1
SCHEMBL13053787 0.81 CA1 (0.36) CA2CA1CA9CA4CA5A
SCHEMBL12712836 0.81 ELANE (0.34) CA2CA1CA9ELANEHCRTR1
SCHEMBL15989469 0.81 CA1 (0.36) CA2CA1CA9CA4CA5A
SCHEMBL13053632 0.81 ELANE (0.34) CA2CA1CA9ELANEHCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383609-B2 Phosphorus containing heterocyclic compounds, sugar analogues, and compositions having anti-cancer activity containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-02-26 — — US disclosed
US-20100298272-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-11-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298272-A1 PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME G6PC1, SLC5A1, HK1 CA2 182/4885CA1 494/4885CA9 159/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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